2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid

C16H12F3NO3 — CID 15574688

IUPAC2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)11-5-3-4-10(8-11)9-14(21)20-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKeyUHQZDUOYHHNMGN-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.58
Rot. Bonds4

About 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid

2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid (PubChem CID 15574688) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
PubChem CID15574688
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)11-5-3-4-10(8-11)9-14(21)20-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIKeyUHQZDUOYHHNMGN-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-carbamoylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767549
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67184957
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119440376
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119440375
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7927071
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
CID 162047234
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1,2-oxazole-5-carboxamide
CID 152924749
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid (CID 15574688) is 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid is O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
The InChIKey is UHQZDUOYHHNMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-16(18,19)11-5-3-4-10(8-11)9-14(21)20-13-7-2-1-6-12(13)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid?
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid has a molecular weight of 323.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 15574688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).